N-cyclohexyl-4-methyl-1-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-4-methyl-1-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-4-methyl-1-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0898 |
| Compound Name: | N-cyclohexyl-4-methyl-1-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 518.64 |
| Molecular Formula: | C27 H30 N6 O3 S |
| Smiles: | Cc1ccc(CNC(CSc2nnc3N(C)C(c4ccc(cc4n23)C(NC2CCCCC2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2251 |
| logD: | 3.2251 |
| logSw: | -3.6773 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.959 |
| InChI Key: | AXIHGXIKRQTYNB-UHFFFAOYSA-N |